(5-ethanoyl-2-ethoxy-phenyl)methyl N'-(3-methylphenyl)carbamimidothioate

Systemtic Name: (5-ethanoyl-2-ethoxy-phenyl)methyl N'-(3-methylphenyl)carbamimidothioate Openeye Name: 2-[(5-acetyl-2-ethoxy-phenyl)methyl]-3-(m-tolyl)isothiourea CAS Name: N'-(3-methylphenyl)carbamimidothioic acid (5-acetyl-2-ethoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-ethoxyphenyl)methyl N'-(3-methylphenyl)carbamimidothioate Traditional Name: 2-(5-acetyl-2-ethoxy-benzyl)-3-(m-tolyl)isothiourea Formula: C19H22N2O2S MolecularWeight: 342.45518

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)CSC(=NC2=CC=CC(=C2)C)N

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)CSC(=NC2=CC=CC(=C2)C)N

InChI

InChI=1S/C19H22N2O2S/c1-4-23-18-9-8-15(14(3)22)11-16(18)12-24-19(20)21-17-7-5-6-13(2)10-17/h5-11H,4,12H2,1-3H3,(H2,20,21)